1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine

C18H19F2N — CID 116506091

IUPAC1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N/c1-21-18(16-10-9-15(19)11-17(16)20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3
InChIKeyYJQZTMOJVJSHAM-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine

1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (PubChem CID 116506091) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
PubChem CID116506091
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N/c1-21-18(16-10-9-15(19)11-17(16)20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3
InChIKeyYJQZTMOJVJSHAM-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 116506024
1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
CID 105044859
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(3-cyclobutylphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 105053588
1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105045036
1-(4-cyclobutylphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105044965
1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 43483072
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(4-cyclobutylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105045096
1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114330491
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine (CID 116506091) is 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(C2CCC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is YJQZTMOJVJSHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-21-18(16-10-9-15(19)11-17(16)20)14-7-5-13(6-8-14)12-3-2-4-12/h5-12,18,21H,2-4H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine?
1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 287.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 116506091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).